SCHEMBL5000684

SCHEMBL5000684

C=C(CCC(C)O[Si](CCCC)(CCCC)CCCC)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.30
THRB P10828 1/20 0.30
FNTA P49354 1/20 0.30
FNTB P49356 1/20 0.30
PGGT1B P53609 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5000632 0.77 TET2 (0.31)
SCHEMBL2119583 0.76 EPHX2 (0.34) LMNATHRBFNTAFNTBPGGT1B
SCHEMBL3780717 0.73 CA12 (0.33) THRBFNTAFNTBPGGT1B
SCHEMBL2121048 0.72 TDP1 (0.31)
SCHEMBL14120426 0.72 THRB (0.35) THRBFNTAFNTBPGGT1B
SCHEMBL950316 0.72 ACE2 (0.47) THRBFNTAFNTBPGGT1B
SCHEMBL828545 0.72 GABRP (0.33) LMNA
SCHEMBL9501863 0.72 CA1 (0.39) THRBFNTAFNTBPGGT1B
SCHEMBL11025964 0.72 LMNA (0.42) LMNATHRBFNTAFNTBPGGT1B
SCHEMBL338900 0.71 TET2 (0.34)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7417090-B2 Water-dispersible polyisocyanate composition, production thereof, and water-based curable composition and application thereof DAINIPPON INK & CHEMICALS, INC. (JP) 2008-08-26 US disclosed
US-20070049691-A1 Water-dispersible polyisocyanate composition, production thereof, and water-based curable composition and application thereof DAINIPPON INK AND CHEMICALS, INC. (JP) 2007-03-01 US disclosed